. 2021 Nov 22;10(11):2548. doi: 10.3390/plants10112548

Table 1.

Results of glucosinolates in cold-pressed rapeseed cake (CPR).

Name of the Compound	Formula	M	[M − H]⁻	Characteristic Fragments	Fragment 96/97 Ratio	RT	Conc.
Name of the Compound	Formula	M	[M − H]⁻	Characteristic Fragments	Fragment 96/97 Ratio	(min)	Conc.
2-Hydroxy-3-butenyl glucosinolate (progoitrin)	C₁₁H₁₉NO₁₀S₂	389.0460	388.0389	96.9595	1: 2	2.26	1014 ± 56 mg/kg
2-Hydroxy-3-butenyl glucosinolate (progoitrin)	C₁₁H₁₉NO₁₀S₂	389.0460	388.0389	259.0183	1: 2	2.26	(2.6 mmol/kg)
2-Propenyl glucosinolate (sinigrin)	C₁₀H₁₇NO₉S₂	359.0287	358.0287	96.9586	1: 2	2.92	3.6 ± 0.09
				96.9586			mg/kg
				259.0012			(0.01 mmol/kg)
p-Hydroxybenzyl glucosinolate (sinalbin)	C₁₄H₁₉NO₁₀S₂	425.0460	424.0387	96.9595	1: 4	4.39	21.7 ± 2.2
				259.0106			mg/kg
				259.0106			(0.05 mmol/kg)
2-Hydroxy-4-pentenyl glucosinolate (gluconapoliferin)	C₁₂H₂₁NO₁₀S₂	403.0620	402.0549	96.9602	1: 3	4.98	114.8 * ± 8.0
				259.0130			mg/kg
				259.0130			(0.28 mmol/kg)
Glucoalyssin	C₁₃H₂₅NO₁₀S₃	451.0660	450.0586	96.9602	1: 2	5.51	52.1 * ± 0.04
				259.0079			mg/kg
				259.0079			(0.12 mmol/kg)
3-Butenyl glucosinolate (gluconapin)	C₁₁H₁₉NO₉S₂	373.0510	372.0439	96.9601	1: 3	5.93	2413 ± 27
				259.0146			mg/kg
				259.0146			(6.5 mmol/kg)
2-Methylpropyl glucosinolate/butyl glucosinolate	C₁₁H₂₁NO₉S₂	375.0670	374.0598	96.9523	1: 3	10.2	16.3 * ± 1.1
				259.0247			mg/kg
				259.0247			(0.04 mmol/kg)
4-Pentenyl glucosinolate	C₁₂H₂₁NO₉S₂	387.0670	386.0598	96.9601	1: 3	12.3	23.7 * ± 1.7
(glucobrassicanapin)				259.0124			mg/kg
(glucobrassicanapin)				259.0124			(0.06 mmol/kg)
4-Methyltiobutyl glucosinolate	C₁₂H₂₃NO₉S₃	421.0540	420.0472	96.9602	1: 3	15.0	<LOQ
4-Methyltiobutyl glucosinolate	C₁₂H₂₃NO₉S₃	421.0540	420.0472	259.0137	1: 3	15.0	<LOQ
2-Phenylethyl glucosinolate (gluconasturtiin)	C₁₅H₂₁NO₉S₂	423.0670	422.0597	96.9608	1: 3	20.2	22.0 ± 0.8
				259.0075			mg/kg
				259.0075			(0.05 mmol/kg)
Methylpentyl glucosinolate	C₁₃H₂₅NO₉S₂	403.0990	402.0915	96.9604	1: 2	24.2	31.7 * ± 2.2
				259.0098			mg/kg
				259.0098			(0.08 mmol/kg)
Methylpentyl glucosinolate	C₁₃H₂₅NO₉S₂	403,098	402.0911	96.9591	1: 2	24.7	19.5 * ± 1.4
				259.0118			mg/kg
				259.0118			(0.05 mmol/kg)
Methylpentyl glucosinolate	C₁₃H₂₅NO₉S₂	403,099	402.0913	96.9627	1: 2	25.7	11.5 *± 0.8
							mg/kg
							(0.03 mmol/kg)
Neoglucobrassicin	C₁₇H₂₂N₂O₁₀S₂	478.073	477.0657	96.9605	1: 3	26.6	<LOQ
				259.0131
				446.0503
Total determined glucosinolates							3740 ± 261 mg/kg
Total determined glucosinolates							(9.9 ± 0.7 mmol/kg)

* The results were expressed as sinigrin equivalents.